General Information of the Compound
| Compound ID |
CP0539872
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| Compound Name |
1'-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
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| Formula |
C21H15F3N4O2S
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| Molecular Weight |
444.438
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| Canonical SMILES |
CNC(=O)c1ccc2CC3(Cc2c1)NC(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H15F3N4O2S/c1-26-17(29)11-2-3-12-8-20(9-14(12)6-11)18(30)28(19(31)27-20)15-5-4-13(10-25)16(7-15)21(22,23)24/h2-7H,8-9H2,1H3,(H,26,29)(H,27,31)
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| InChIKey |
UPXGPACRTHMNQJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound